Chemical Properties of 3,5-Dinitrosalicylic acid (CAS 609-99-4)

3,5-Dinitrosalicylic acid

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InChI
InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)
InChI Key
LWFUFLREGJMOIZ-UHFFFAOYSA-N
Formula
C7H4N2O7
SMILES
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
Molecular Weight1
228.12
CAS
609-99-4
Other Names
  • 2-Hydroxy-3,5-dinitrobenzoic acid
  • 3,5-Dinitro-2-hydroxybenzoic acid
  • 3,5-Dinitrosalicylic acid
  • Salicylic acid, 3,5-dinitro-
Sources

Physical Properties

Property Value Unit Source
Δf -248.05 kJ/mol Joback Calculated Property
Δfgas -437.86 kJ/mol Joback Calculated Property
Δfus 41.34 kJ/mol Joback Calculated Property
Δvap 104.40 kJ/mol Joback Calculated Property
logPoct/wat 0.91 Crippen Calculated Property
Pc 6288.83 kPa Joback Calculated Property
Tboil 926.55 K Joback Calculated Property
Tc 1184.19 K Joback Calculated Property
Tfus 729.80 K Joback Calculated Property
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 368.27 J/mol×K 926.55 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 2
-NO2 2
-OH (phenol) 1
=C< (ring) 4
>C=O (nonring) 1
-OH (alcohol) 1

Similar Compounds

3,5-Dinitrosalicylic acid, monosodium salt. Salicylic acid, 3-nitro. 3,5-Dinitrosalicylaldehyde. Phenol, 2-methyl-4,6-dinitro-. Methyl 2,6-dimethoxy-3-nitrobenzoic acid. Phenol, 2,4-dinitro-6-ethyl-. 4-Hydroxy-3-nitrobenzoic acid. 2-Tert-butyl-4,6-dinitrophenol. Benzaldehyde, 2-hydroxy-3-nitro-. Alpha-(dimethylamino)-4,6-dinitro-o-cresol. 2-Sec-butyl-4,6-dinitrophenol. O-cresol, 4,6-dinitro-, sodium salt. methyl 4-hydroxy-3-nitrobenzoate. Benzoic acid, 4-methoxy-3-nitro-. Ethyl 4-hydroxy-3-nitrobenzoate.

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